Geometry & MOs

Info

ID:	183706
PubChem CID:	77060162
Reduced:	OSN4C7H14 (1)
Stoich.:	ABC4D7E14 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-0.41
Dipole, Da:	4.31
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-hydroxycyclopentyl)methylsulfanyl]-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1CC1CNC(=O)CSC(=NN)N

DOS

IR

Vibrations